4736-57-6

Basic information

• Product Name: Estra-1,3,5(10)-trien-17-ol,3,4-dimethyl-, acetate, (17b)- (9CI)
• Synonyms: Estra-1,3,5(10)-trien-17b-ol,3,4-dimethyl-, acetate (7CI,8CI)
• CAS NO: 4736-57-6
• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 129.2232
• Mol File: 4736-57-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 185.1°Cat760mmHg
• Flash Point: 59.4°C
• Density: 0.92g/cm³
• CAS DataBase Reference: Estra-1,3,5(10)-trien-17-ol,3,4-dimethyl-, acetate, (17b)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Estra-1,3,5(10)-trien-17-ol,3,4-dimethyl-, acetate, (17b)- (9CI)(4736-57-6)
• EPA Substance Registry System: Estra-1,3,5(10)-trien-17-ol,3,4-dimethyl-, acetate, (17b)- (9CI)(4736-57-6)

Safety Data

• Hazardous Substances Data: 4736-57-6(Hazardous Substances Data)

Upstream product

• 117781-25-6 7β,17β-dihydroxy 4-methyleneandrost-5-ene 
• 81498-01-3 4-methyleneandrost-5-ene-7,17-dione 
• 117781-27-8 7β,17β-diacetoxy-4-methyleneandrost-5-ene 
• 4003-66-1 17β-acetoxy-4,4-dimethylestr-5-en-3-one 

Relevant articles and documents

Aromatization of 7β,17β-Diacetoxy-4-methyleneandrost-5-ene

Treatment of 7β,17β-diacetoxy-4-methyleneandrost-5-ene with hydrobromic acid in glacial acetic acid affords 17β-acetoxy-1,4-dimethyloestra-1,3,5(10)-triene rather than an anthrasteroid.The incorporation of deuterium from deuterium bromide and deuterioacetic acid on the C-4 methyl group is consistent with a methyl group migration from C-10 to C-1 during the rearrangement.A minor amount of 17β-acetoxy-3,4-dimethyloestra-1,3,5(10)-triene is also formed in the rearrangement.